SCHEMBL2004085

SCHEMBL2004085

COC(=O)c1ccc2cc(Br)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.55
MAPT P10636 3/20 0.52
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.49
TP53 P04637 1/20 0.47
BACE1 P56817 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
HTT P42858 3/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31289295 1.00 ABCG2 (0.55) ABCG2MAPTCYP1A2GAARECQL
SCHEMBL3364680 0.89 ABCG2 (0.56) ABCG2MAPTCYP1A2GAARECQL
Methyl Nicotinate SCHEMBL30617262 0.85 ALDH1A1 (0.58) ABCG2MAPTCYP1A2GAARECQL
SCHEMBL31688990 0.83 BACE1 (0.43) ABCG2MAPTCYP1A2GAARECQL
SCHEMBL2001591 0.83 ALDH1A1 (0.65) ABCG2MAPTCYP1A2GAABACE1
SCHEMBL16099506 0.83 MAPT (0.53) ABCG2MAPTL3MBTL1BACE1ALDH1A1
SCHEMBL16880740 0.82 HSD17B14 (0.51) MAPTCYP1A2TP53BACE1HTT
SCHEMBL4163337 0.82 HSD17B14 (0.50) ABCG2MAPTCYP1A2GAARECQL
SCHEMBL4758774 0.82 HTT (0.42) ABCG2MAPTCYP1A2GAARECQL
SCHEMBL262639 0.81 BACE1 (0.50) ABCG2CYP1A2IRAK4BACE1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 120 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947720-B Design, preparation and application of beta 3 adrenergic receptor anchoring probe 南京师范大学 2024-03-29 CN claimed
CN-115947720-A Design of beta 3 adrenergic receptor anchoring probe and preparation method and application thereof 南京师范大学 2023-04-11 CN claimed
CN-114426534-B Reversible fluorescent probe for detecting copper ions and preparation method thereof 南京师范大学 2023-01-31 CN claimed
CN-114426534-A Reversible fluorescent probe for detecting copper ions and preparation method thereof 南京师范大学 2022-05-03 CN claimed
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 EP disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 CN disclosed
US-20250011365-A1 ECHINOCANDIN-BASED DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shenzhen Sungening Biological Co., Ltd (CN) 2025-01-09 US disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
EP-3152190-B1 18-20 MEMBER BI-POLYCYCLIC COMPOUNDS HARO PHARMACEUTICAL INC (US) 2024-07-31 EP disclosed
CN-116903706-B Echinocandin medicine and preparation method and application thereof 深圳市祥根生物有限公司 2024-05-17 CN disclosed
CN-115947720-B Design, preparation and application of beta 3 adrenergic receptor anchoring probe 南京师范大学 2024-03-29 CN disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 WO disclosed
CN-85100796-A The preparation method of qualone derivative 1986-10-01 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ABCG2 836/4885MAPT 716/4885CYP1A2 2081/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP ABCG2 922/4885MAPT 1039/4885CYP1A2 4452/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS ABCG2 203/4885MAPT 3202/4885CYP1A2 2040/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 ABCG2 2827/4885MAPT 2996/4885CYP1A2 4125/4885
US-20250011365-A1 ECHINOCANDIN-BASED DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, ERG28, WEE1 ABCG2 81/4885MAPT 3876/4885CYP1A2 901/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 ABCG2 4257/4885MAPT 2871/4885CYP1A2 3456/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.